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Information card for entry 7125879
Preview
| Coordinates | 7125879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H22 N3 O2 |
|---|---|
| Calculated formula | C21 H22 N3 O2 |
| Title of publication | Efficient photosensitizers with aggregation-induced emission characteristics for lysosome- and Gram-positive bacteria-targeted photodynamic therapy. |
| Authors of publication | Zhuang, Jiabao; Yang, Hanxiao; Li, Yue; Wang, Bing; Li, Nan; Zhao, Na |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 17 |
| Pages of publication | 2630 - 2633 |
| a | 6.5347 ± 0.0003 Å |
| b | 11.4519 ± 0.0005 Å |
| c | 14.2937 ± 0.0006 Å |
| α | 112.503 ± 0.004° |
| β | 95.468 ± 0.004° |
| γ | 100.753 ± 0.003° |
| Cell volume | 954.35 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125879.cif |
| 248812 | 2020-03-05 | cif/ Updating files of 7125879 Original log message: Adding full bibliography for 7125879.cif. |
7125879.cif |
| 247360 | 2020-01-30 | cif/ Adding structures of 7125879 via cif-deposit CGI script. |
7125879.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.